3-azanyl-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-(4,6-dimethoxy-2-pyrimidinyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(4,6-dimethoxypyrimidin-2-yl)-1-keto-7-nitro-isoquinoline-4-carbonitrile Formula: C16H12N6O5 MolecularWeight: 368.30368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC

InChI

InChI=1S/C16H12N6O5/c1-26-12-6-13(27-2)20-16(19-12)21-14(18)11(7-17)9-4-3-8(22(24)25)5-10(9)15(21)23/h3-6H,18H2,1-2H3